SCHEMBL11633671

SCHEMBL11633671

O=C1CCC(c2ccc(-c3ccc(Br)cc3)o2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 7/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 2/20 0.41
HSP90AA1 P07900 2/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 3/20 0.39
PRNP P04156 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
IGF1R P08069 1/20 0.36
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11631598 0.85 NPC1 (0.41) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10452715 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL11633129 0.79 KMT2A (0.41) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL11630830 0.75 MAPT (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL11634647 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL5963207 0.67 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL16765776 0.65 MAPT (0.39) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL9712225 0.63 POLB (0.44) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7259690 0.62 MEN1 (0.44) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6615671 0.61 ACHE (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4085118-A 5-(5-Halogenatedphenyl-2-furanyl)dihydro-2(3H)-furanones MORTON-NORWICH PRODUCTS, INC. (US) 1978-04-18 US claimed
US-4085118-A 5-(5-Halogenatedphenyl-2-furanyl)dihydro-2(3H)-furanones MORTON-NORWICH PRODUCTS, INC. (US) 1978-04-18 US disclosed